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GPCR

Name	Prostacyclin receptor
Species	Homo sapiens (Human)
Gene	PTGIR
Synonym	prostanoid IP receptor prostaglandin I2 receptor prostaglandin I2 (prostacyclin) receptor (IP) prostacyclin receptor PGI2 receptor PGI receptor IP receptor [ Show all ]
Disease	Solid tumours Pulmonary hypertension Medical abortion Pulmonary arterial hypertension Hypertension Gout Chronic renal failure Asthma Aborting second-trimester pregnancy Pulmonary arterial hypertension; Thrombosis [ Show all ]
Length	386
Amino acid sequence	MADSCRNLTYVRGSVGPATSTLMFVAGVVGNGLALGILSARRPARPSAFAVLVTGLAATDLLGTSFLSPAVFVAYARNSSLLGLARGGPALCDAFAFAMTFFGLASMLILFAMAVERCLALSHPYLYAQLDGPRCARLALPAIYAFCVLFCALPLLGLGQHQQYCPGSWCFLRMRWAQPGGAAFSLAYAGLVALLVAAIFLCNGSVTLSLCRMYRQQKRHQGSLGPRPRTGEDEVDHLILLALMTVVMAVCSLPLTIRCFTQAVAPDSSSEMGDLLAFRFYAFNPILDPWVFILFRKAVFQRLKLWVCCLCLGPAHGDSQTPLSQLASGRRDPRAPSAPVGKEGSCVPLSAWGEGQVEPLPPTQQSSGSAVGTSSKAEASVACSLC
UniProt	P43119
Protein Data Bank	N/A
GPCR-HGmod model	P43119
3D structure model	This predicted structure model is from GPCR-EXP P43119.
BioLiP	N/A
Therapeutic Target Database	T99954
ChEMBL	CHEMBL1995
IUPHAR	345
DrugBank	BE0000475

Ligand

Name	CHEMBL119550
Molecular formula	C29H33NO4
IUPAC name	(Z)-7-[(1R,2R,3S,5S)-2-(dibenzofuran-2-carbonylamino)-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Molecular weight	459.586
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	6.3
Synonyms	(Z)-7-[(1R,5S)-2alpha-[(Dibenzofuran-2-ylcarbonyl)amino]-6,6-dimethylbicyclo[3.1.1]heptan-3beta-yl]-5-heptenoic acid BDBM50060467 (Z)-7-{(1R,2R,3S,5S)-2-[(Dibenzofuran-2-carbonyl)-amino]-6,6-dimethyl-bicyclo[3.1.1]hept-3-yl}-hept-5-enoic acid
Inchi Key	CVLLFECJXVDQEK-LGNCZSJASA-N
Inchi ID	InChI=1S/C29H33NO4/c1-29(2)20-15-18(9-5-3-4-6-12-26(31)32)27(23(29)17-20)30-28(33)19-13-14-25-22(16-19)21-10-7-8-11-24(21)34-25/h3,5,7-8,10-11,13-14,16,18,20,23,27H,4,6,9,12,15,17H2,1-2H3,(H,30,33)(H,31,32)/b5-3-/t18-,20-,23-,27+/m0/s1
PubChem CID	10813802
ChEMBL	CHEMBL119550
IUPHAR	N/A
BindingDB	50060467
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	7500.0 nM	PMID9357516	BindingDB,ChEMBL

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